1-(2-amino-4-methyl-4-phenylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-3-(pyrrolidine-1-carbonylamino)propanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen

C155H193FN36O18 — CID 167560993

IUPAC1-(2-amino-4-methyl-4-phenylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-3-(pyrrolidine-1-carbonylamino)propanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CC(C)(C)c3ccccc3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCNCC3C)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CNC(=O)N3CCCC3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccc[nH]c4=O)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4cccnc4F)CN3)C2)cc1.[H][H].[H][H]
InChIInChI=1S/C33H40N6O3.C31H34FN7O3.C31H42N8O4.C31H35N7O4.C29H38N8O4.2H2/c1-33(2,25-8-6-5-7-9-25)19-27(34)32(41)39-21-24(16-22-10-13-26(42-4)14-11-22)18-30(39)31(40)35-20-23-12-15-29-28(17-23)36-37-38(29)3;1-38-27-10-7-20(13-25(27)36-37-38)16-35-30(40)28-14-21(12-19-5-8-23(42-2)9-6-19)18-39(28)31(41)26-15-22(17-34-26)24-4-3-11-33-29(24)32;1-20-17-33-12-13-38(20)29(40)11-9-25(32)31(42)39-19-23(14-21-4-7-24(43-3)8-5-21)16-28(39)30(41)34-18-22-6-10-27-26(15-22)35-36-37(27)2;1-37-27-10-7-20(13-25(27)35-36-37)16-34-30(40)28-14-21(12-19-5-8-23(42-2)9-6-19)18-38(28)31(41)26-15-22(17-33-26)24-4-3-11-32-29(24)39;1-35-25-10-7-20(14-24(25)33-34-35)16-31-27(38)26-15-21(13-19-5-8-22(41-2)9-6-19)18-37(26)28(39)23(30)17-32-29(40)36-11-3-4-12-36;;/h5-15,17,24,27,30H,16,18-21,34H2,1-4H3,(H,35,40);3-11,13,21-22,26,28,34H,12,14-18H2,1-2H3,(H,35,40);4-8,10,15,20,23,25,28,33H,9,11-14,16-19,32H2,1-3H3,(H,34,41);3-11,13,21-22,26,28,33H,12,14-18H2,1-2H3,(H,32,39)(H,34,40);5-10,14,21,23,26H,3-4,11-13,15-18,30H2,1-2H3,(H,31,38)(H,32,40);2*1H
InChIKeyDQQVKULADHQYDA-UHFFFAOYSA-N
MW2867.48 g/mol
LogP11.03
Rot. Bonds45

About 1-(2-amino-4-methyl-4-phenylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-3-(pyrrolidine-1-carbonylamino)propanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen

1-(2-amino-4-methyl-4-phenylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-3-(pyrrolidine-1-carbonylamino)propanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 167560993) has the molecular formula C155H193FN36O18 and a molecular weight of 2867.48 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-4-phenylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-3-(pyrrolidine-1-carbonylamino)propanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(2-amino-4-methyl-4-phenylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-3-(pyrrolidine-1-carbonylamino)propanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen
PubChem CID167560993
Molecular FormulaC155H193FN36O18
Molecular Weight2867.48 g/mol
Exact Mass2865.53
IUPAC Name1-(2-amino-4-methyl-4-phenylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-3-(pyrrolidine-1-carbonylamino)propanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CC(C)(C)c3ccccc3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCNCC3C)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CNC(=O)N3CCCC3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccc[nH]c4=O)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4cccnc4F)CN3)C2)cc1.[H][H].[H][H]
InChIInChI=1S/C33H40N6O3.C31H34FN7O3.C31H42N8O4.C31H35N7O4.C29H38N8O4.2H2/c1-33(2,25-8-6-5-7-9-25)19-27(34)32(41)39-21-24(16-22-10-13-26(42-4)14-11-22)18-30(39)31(40)35-20-23-12-15-29-28(17-23)36-37-38(29)3;1-38-27-10-7-20(13-25(27)36-37-38)16-35-30(40)28-14-21(12-19-5-8-23(42-2)9-6-19)18-39(28)31(41)26-15-22(17-34-26)24-4-3-11-33-29(24)32;1-20-17-33-12-13-38(20)29(40)11-9-25(32)31(42)39-19-23(14-21-4-7-24(43-3)8-5-21)16-28(39)30(41)34-18-22-6-10-27-26(15-22)35-36-37(27)2;1-37-27-10-7-20(13-25(27)35-36-37)16-34-30(40)28-14-21(12-19-5-8-23(42-2)9-6-19)18-38(28)31(41)26-15-22(17-33-26)24-4-3-11-32-29(24)39;1-35-25-10-7-20(14-24(25)33-34-35)16-31-27(38)26-15-21(13-19-5-8-22(41-2)9-6-19)18-37(26)28(39)23(30)17-32-29(40)36-11-3-4-12-36;;/h5-15,17,24,27,30H,16,18-21,34H2,1-4H3,(H,35,40);3-11,13,21-22,26,28,34H,12,14-18H2,1-2H3,(H,35,40);4-8,10,15,20,23,25,28,33H,9,11-14,16-19,32H2,1-3H3,(H,34,41);3-11,13,21-22,26,28,33H,12,14-18H2,1-2H3,(H,32,39)(H,34,40);5-10,14,21,23,26H,3-4,11-13,15-18,30H2,1-2H3,(H,31,38)(H,32,40);2*1H
InChIKeyDQQVKULADHQYDA-UHFFFAOYSA-N
XLogP11.03
TPSA659.30 Ų
H-Bond Donors13
H-Bond Acceptors40
Rotatable Bonds45
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002867.48
LogP ≤ 511.03
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(2-amino-4-methyl-4-phenylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-3-(pyrrolidine-1-carbonylamino)propanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methyl-4-phenylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-3-(pyrrolidine-1-carbonylamino)propanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen?
The IUPAC name of 1-(2-amino-4-methyl-4-phenylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-3-(pyrrolidine-1-carbonylamino)propanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen (CID 167560993) is 1-(2-amino-4-methyl-4-phenylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-3-(pyrrolidine-1-carbonylamino)propanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(2-amino-4-methyl-4-phenylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-3-(pyrrolidine-1-carbonylamino)propanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(2-amino-4-methyl-4-phenylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-3-(pyrrolidine-1-carbonylamino)propanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen is COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CC(C)(C)c3ccccc3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCNCC3C)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CNC(=O)N3CCCC3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccc[nH]c4=O)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4cccnc4F)CN3)C2)cc1.[H][H].[H][H].
What is the InChIKey of 1-(2-amino-4-methyl-4-phenylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-3-(pyrrolidine-1-carbonylamino)propanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen?
The InChIKey is DQQVKULADHQYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N6O3.C31H34FN7O3.C31H42N8O4.C31H35N7O4.C29H38N8O4.2H2/c1-33(2,25-8-6-5-7-9-25)19-27(34)32(41)39-21-24(16-22-10-13-26(42-4)14-11-22)18-30(39)31(40)35-20-23-12-15-29-28(17-23)36-37-38(29)3;1-38-27-10-7-20(13-25(27)36-37-38)16-35-30(40)28-14-21(12-19-5-8-23(42-2)9-6-19)18-39(28)31(41)26-15-22(17-34-26)24-4-3-11-33-29(24)32;1-20-17-33-12-13-38(20)29(40)11-9-25(32)31(42)39-19-23(14-21-4-7-24(43-3)8-5-21)16-28(39)30(41)34-18-22-6-10-27-26(15-22)35-36-37(27)2;1-37-27-10-7-20(13-25(27)35-36-37)16-34-30(40)28-14-21(12-19-5-8-23(42-2)9-6-19)18-38(28)31(41)26-15-22(17-33-26)24-4-3-11-32-29(24)39;1-35-25-10-7-20(14-24(25)33-34-35)16-31-27(38)26-15-21(13-19-5-8-22(41-2)9-6-19)18-37(26)28(39)23(30)17-32-29(40)36-11-3-4-12-36;;/h5-15,17,24,27,30H,16,18-21,34H2,1-4H3,(H,35,40);3-11,13,21-22,26,28,34H,12,14-18H2,1-2H3,(H,35,40);4-8,10,15,20,23,25,28,33H,9,11-14,16-19,32H2,1-3H3,(H,34,41);3-11,13,21-22,26,28,33H,12,14-18H2,1-2H3,(H,32,39)(H,34,40);5-10,14,21,23,26H,3-4,11-13,15-18,30H2,1-2H3,(H,31,38)(H,32,40);2*1H.
What are the key properties of 1-(2-amino-4-methyl-4-phenylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-3-(pyrrolidine-1-carbonylamino)propanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen?
1-(2-amino-4-methyl-4-phenylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-3-(pyrrolidine-1-carbonylamino)propanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 2867.48 g/mol, XLogP of 11.03, 45 rotatable bonds, 13 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-4-phenylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2-methylpiperazin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-3-(pyrrolidine-1-carbonylamino)propanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 167560993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).